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Substance Name: 4-Methylcyclohexanone
RN: 589-92-4
UNII: 0L1R78K79S
InChIKey: VGVHNLRUAMRIEW-UHFFFAOYSA-N
Molecular Formula
- C7-H12-O
Molecular Weight
- 112.171
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Methylcyclohexanone
Synonyms
- 4-07-00-00044 (Beilstein Handbook Reference)
- 4-Methyl-1-cyclohexanone
- 4-Methylcyclohexanone
- AI3-15916
- BRN 0506746
- EINECS 209-665-3
- Methyl-4 cyclohexanone-1
- Methyl-4 cyclohexanone-1 [French]
- NSC 3816
- UNII-0L1R78K79S
Systematic Names
- 4-Methylcyclohexanone
- Cyclohexanone, 4-methyl-
Registry Numbers
CAS Registry Number
- 589-92-4
FDA UNII
- 0L1R78K79S
System Generated Number
- 0000589924
Structure Descriptors
InChI
1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3InChIKey
VGVHNLRUAMRIEW-UHFFFAOYSA-NSmiles
C1(CCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 370mg/kg (370mg/kg) | CARDIAC: CHANGE IN RATE VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953. |
| mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4783, 1982. | |
| rat | LD50 | oral | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4783, 1982. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -4.06E+01 | deg C | EXP | |
| Boiling Point | 170 | deg C | EXP | |
| log P (octanol-water) | 1.38 | (none) | EXP | |
| Water Solubility | 7090 | mg/L | 25 | EST |
| Vapor Pressure | 1.5 | mm Hg | 20 | EXP |
| Henry's Law Constant | 6.79E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.38E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.